Last minute information for ChemPen+

1. If this is an unregistered copy you cannot save drawings.
2. Additional C-13 NMR peaks cannot be added to the demo database
3. The program name is CPDEMO.exe

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Special Information for Microsoft Windows 95 Users

ChemPen+ is a Windows 3.1 program but will install and
run under Windows 95. However:
1. ChemPen+ has run and been found to run adequately on a
   386DX, with an ISA VGA card running Windows 95 with 8MB RAM.
   But don't expect speedy response. 
 
2. ChemPen+ does not implement Windows 95 specific features
   such as long filenames or multithreading.

3. ChemPen+ does not edit the Windows 95 registry. 

4. At the end of installation, under Windows 95, there is a delay
   that can last up to a minute or two on slower machines and which
   causes the computer to appear locked. Wait for the installation
   to complete message box.
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Molecular weight on the "Special" menu item is now "Molecular
Data" and gives the Molecular weight, the molecular formula
and the % compositions of each element. 

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C-13 NMR Demo HOSE code Database:

A small C-13 NMR Shift has been included. In the Demo version 
new shifts cannot be added. However, spectra can be predicted 
by accessing the C-13 NMR Shifts menu item under Special.  

This database is based on Hierarchically Ordered Spherical 
description Environment codes(HOSE codes) developed by Wolfgang 
Bremser of BASF. HOSE codes use strings to represent the networks
of atoms and bonds radiating from an atom. ChemPen+ generates 
the HOSE code for up to 5 layers. Two atoms with identical HOSE
codes usually have the same chemical shift. The HOSE code of
a benzene carbon follows.

*C*C(*C,*C/*C,*&)

Exact matches are not required. Substring matches also give 
good estimates of an atom's chemical shift. ChemPen+ seeks an
exact match of a HOSE code. If no match is found the HOSE code
string is shortened until substring match is found or the first
layer is reached.

The score is what percent of the matching string's charact-
ers are matched by the whole or substring of the candidate
string.

IMPORTANT: 
1. Do not use branched hydrogens in structures to be
   used in C-13 or other heteronuclear NMR predictions. 
2. DO USE branched hydrogens in structures used for
   proton NMR predictions.
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The Lindeman-Adams formula for predicting C-13 NMR Shifts of
saturated branched chain hydrocarbons has been implemented.
Select L-A NMR to estimate spectrum. L-A NMR automatically
detects and refuses to apply the formula to rings and
non straight chain hydrocarbons.

Ref: L.P. Lindeman, J.Q. Adams, Anal. Chem., 43,1245(1971)